• J.R. Shakirova, E.V. Grachova, V.V. Gurzhiy, Senthil Kumar Thangaraj, J. Jänis, A.S. Melnikov, A.J. Karttunen, S.P. Tunik, I.O. Koshevoy, Heterometallic cluster-capped tetrahedral assemblies with postsynthetic modification of the metal cores Angew. Chem. Int. Ed., (2018), doi: 10.1002/anie.201809058

    Combining the star‐shaped alkynyl ligands with low‐nuclearity gold–copper triphosphane clusters produces 3D metallocage aggregates, which demonstrate room temperature phosphorescence in solution (max Φem=0.6). Their luminescence mainly originates from cluster‐localized metal‐to‐ligand charge transfer excited state. These supramolecular assemblies can be easily converted into the isostructural gold‐silver congeners by the direct exchange of the metal ions. Such modification of the terminal metal cores switches the emission to the intraligand (alkyne) electronic transitions of the triplet manifold, that represents an unusual optical functionality among the metallocycle/metallocage complexes.

  • Dekina D.I., Kalinichev A.V., Pokhvishcheva N.V., Peshkova M.A., Mikhelson K.N. Effects of quantitative composition of the sensing phase in the response of ionophore-based optical sensors Sensors & Actuators: B. Chemical, V.277, N. 20, P. 535-543, doi: 10.1016/j.snb.2018.09.018

    The response characteristics of the optical chemical sensors (optodes), namely response range, response span and sensitivity are quantitatively related to the composition of the sensor phase for the first time. The dependence of the characteristics of ion-selective bulk optodes on the concentrations of the indicator, ionophore and ionic additive (ion-exchanger) are simulated numerically and experimentally verified with Na+- and K+-selective colorimetric optodes...

  • Lu, X., Du, L., Wang, D., Yang, P., Liu, L., Zhang, J., An, M., Levin, O., Wang, J., Ge, L. Highly Dispersed Cu−NX Moieties Embedded in Graphene: A Promising Electrocatalyst towards the Oxygen Reduction Reaction, ChemElectroChem, (2018). Article in Press. DOI: 10.1002/celc.201800657

    Transition metal–carbon–nitrogen catalysts for the oxygen reduction reaction (ORR) are promising and challenging. Cu is a potential transition metal to form efficient ORR catalysts for fuel cells. Herein, a facile method is developed to synthesize a highly dispersed Cu−NX and N‐doped graphene (Cu−N−G) catalyst. The Cu−N−G catalyst shows a half‐wave potential (E1/2) of 0.859 V, which is comparable to the commercial Pt/C catalyst (0.856 V), and is among the best compared with the previously reported Cu‐based materials. In addition, such a catalyst shows good stability and methanol tolerance in alkaline media...

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Vitaly Panchuk, Valentin Semenov, Andrey Legin, and Dmitry Kirsanov Signal Smoothing with PLS Regression, Anal. Chem., 2018, 90 (9), pp 5959–5964

Предложен новый способ цифровой фильтрации приборных сигналов

Abstract

Smoothing of instrumental signals is an important prerequisite in data processing. Various smoothing methods were suggested through the last decades each having their own benefits and drawbacks. Most of the filtering methods are based on averaging in a certain window (e.g., Savitzky-Golay) or on frequency-domain representation (e.g., Fourier filtering). The present study introduces novel approach to signal filtering based on signal variance through PLS (projections on latent structures) regression. The influence of filtering parameters on the smoothed spectrum is explained and real world examples are shown.


Sergey A. Adonin, Mikhail Bondarenko, Pavel A. Abramov, Alexander S. Novikov, Pavel E Plyusnin, Maxim N. Sokolov, Vladimir P. Fedin Bromo‐ and polybromoantimonates (V): structural and theoretical studies of hybrid halogen‐rich halometalate frameworks, Chem. Eur. J., 2018, 24, 10165–10170

Реакция "[SbBr6]3‐ +Br2 + HBr + CationBrx" приводит к образованию бромидных/полибромидных комплексов с 0D-, 1D-, 2D- и 3D-супрамолекулярными структурами и различным соотношениям Br/Sb. Новые соединения были охарактеризованы посредством рентгеноструктурного и термогравиметрического анализов, а природа и энергетика нековалентных взаимодействий Br---Br в этих соединениях была изучена с помощью квантово-химических расчётов в рамках теории функционала плотности.

Abstract

Cation‐dependent reactions "[SbBr6]3‐ +Br2 + HBr + CationBrx" result in formation of bromide/polybromide complexes with zero‐, one‐, two‐ or three‐dimensional supramolecular frameworks and different Br/Sb ratio (up to 11). Seven new compounds representing 6 structural types were characterized by XRD and TG; DFT calculations enabled estimation of the energies of the Br···Br contacts (1.1‐4.6 kcal/mol).

Ответственный за содержание сайта Института химии: Роман Зумберов, r.zumberov@spbu.ru